6-azanyl-2-(butylamino)-9-[[6-[3-(dimethylamino)propyl-methyl-amino]pyridin-3-yl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[[6-[3-(dimethylamino)propyl-methyl-amino]pyridin-3-yl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)propyl-methyl-amino]-3-pyridyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)propyl-methylamino]-3-pyridinyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)propyl-methylamino]pyridin-3-yl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)propyl-methyl-amino]-3-pyridyl]methyl]-7H-purin-8-one Formula: C21H33N9O MolecularWeight: 427.54642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)N(C)CCCN(C)C

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)N(C)CCCN(C)C

InChI

InChI=1S/C21H33N9O/c1-5-6-10-23-20-26-18(22)17-19(27-20)30(21(31)25-17)14-15-8-9-16(24-13-15)29(4)12-7-11-28(2)3/h8-9,13H,5-7,10-12,14H2,1-4H3,(H,25,31)(H3,22,23,26,27)